Task 38608463
| Name | hif2a_A39_A30_r0_4-QUICO_ATM_GAFF2_NAGL_hif2a-1-6-RND1586_1 |
| Workunit | 31561759 |
| Created | 14 Apr 2026, 16:21:48 UTC |
| Sent | 14 Apr 2026, 16:22:38 UTC |
| Report deadline | 19 Apr 2026, 16:22:38 UTC |
| Received | 14 Apr 2026, 16:29:41 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 621753 |
| Run time | 1 min 41 sec |
| CPU time | 21 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 8,092.61 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 253.11 MB |
| Peak swap size | 8.89 GB |
| Peak disk usage | 1.54 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<message>
- exit code 195 (0xc3)</message>
<stderr_txt>
01:26:49 (10272): wrapper (7.9.26016): starting
01:26:49 (10272): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A30_0.pdb
QB_A39_A30_0.xml
QB_A39_A30.inpcrd
QB_A39_A30_input.yaml
QB_A39_A30.pdb
QB_A39_A30.prmtop
QB_A39_A30_sys.xml
run.bat
run.sh
01:26:50 (10272): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:26:50 (10272): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'D:\DOWNLOAD\¿¹Àüµ¥ÀÌÅÍ\BOINCPortable\Data\BOINCPortableData\slots\26\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'D:\DOWNLOAD\¿¹Àüµ¥ÀÌÅÍ\BOINCPortable\Data\BOINCPortableData\slots\26\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "D:\DOWNLOAD\¿¹Àüµ¥ÀÌÅÍ\BOINCPortable\Data\BOINCPortableData\slots\26\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\DOWNLOAD\¿¹Àüµ¥ÀÌÅÍ\BOINCPortable\Data\BOINCPortableData\slots\26\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "D:\DOWNLOAD\¿¹Àüµ¥ÀÌÅÍ\BOINCPortable\Data\BOINCPortableData\slots\26\Lib\site-packages\atom_openmm\openmm_async_re.py", line 443, in __init__
self.openmm_workers.append(ommworkercls(self.basename, ommsys, self.keywords, node_info = node, compute = True, logger = self.logger))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\DOWNLOAD\¿¹Àüµ¥ÀÌÅÍ\BOINCPortable\Data\BOINCPortableData\slots\26\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "D:\DOWNLOAD\¿¹Àüµ¥ÀÌÅÍ\BOINCPortable\Data\BOINCPortableData\slots\26\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "D:\DOWNLOAD\¿¹Àüµ¥ÀÌÅÍ\BOINCPortable\Data\BOINCPortableData\slots\26\Lib\site-packages\atom_openmm\ommworker.py", line 229, in _openmm_worker_makecontext
self.platform = Platform.getPlatformByName(self.platform_name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\DOWNLOAD\¿¹Àüµ¥ÀÌÅÍ\BOINCPortable\Data\BOINCPortableData\slots\26\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
return _openmm.Platform_getPlatformByName(name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
01:27:38 (10272): C:/Windows/system32/cmd.exe exited; CPU time 21.515625
01:27:38 (10272): app exit status: 0x16
01:27:38 (10272): called boinc_finish(195)
0 bytes in 0 Free Blocks.
744 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 1101401 bytes.
Dumping objects ->
{3836073} normal block at 0x000002AB6C363830, 96 bytes long.
Data: <PATH=D:\DOWNLOAD> 50 41 54 48 3D 44 3A 5C 44 4F 57 4E 4C 4F 41 44
{3836062} normal block at 0x000002AB6A335AD0, 80 bytes long.
Data: <HOME=D:\DOWNLOAD> 48 4F 4D 45 3D 44 3A 5C 44 4F 57 4E 4C 4F 41 44
{3836051} normal block at 0x000002AB6A335B60, 80 bytes long.
Data: <TMP=D:\DOWNLOAD\> 54 4D 50 3D 44 3A 5C 44 4F 57 4E 4C 4F 41 44 5C
{3836040} normal block at 0x000002AB6A335770, 80 bytes long.
Data: <TEMP=D:\DOWNLOAD> 54 45 4D 50 3D 44 3A 5C 44 4F 57 4E 4C 4F 41 44
{3836029} normal block at 0x000002AB6A3356E0, 80 bytes long.
Data: <TMPDIR=D:\DOWNLO> 54 4D 50 44 49 52 3D 44 3A 5C 44 4F 57 4E 4C 4F
{3835998} normal block at 0x000002AB6C363FB0, 96 bytes long.
Data: <PATH=D:\DOWNLOAD> 50 41 54 48 3D 44 3A 5C 44 4F 57 4E 4C 4F 41 44
{3835987} normal block at 0x000002AB6A368650, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835984} normal block at 0x000002AB6A30E760, 8 bytes long.
Data: < (j > 00 00 28 6A AB 02 00 00
{3835188} normal block at 0x000002AB6A367D60, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834417} normal block at 0x000002AB6A30EC10, 8 bytes long.
Data: <` /j > 60 11 2F 6A AB 02 00 00
..\zip\boinc_zip.cpp(122) : {402} normal block at 0x000002AB6A2F4330, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{387} normal block at 0x000002AB6A2F5970, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
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{385} normal block at 0x000002AB6A30EA80, 16 bytes long.
Data: <0 0j > 30 E2 30 6A AB 02 00 00 00 00 00 00 00 00 00 00
{384} normal block at 0x000002AB6A304FE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{383} normal block at 0x000002AB6A309550, 16 bytes long.
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{382} normal block at 0x000002AB6A309500, 16 bytes long.
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{381} normal block at 0x000002AB6A3094B0, 16 bytes long.
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{380} normal block at 0x000002AB6A309140, 16 bytes long.
Data: < 0j > 90 E1 30 6A AB 02 00 00 00 00 00 00 00 00 00 00
{379} normal block at 0x000002AB6A307550, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{378} normal block at 0x000002AB6A309280, 16 bytes long.
Data: < ,/j > B8 2C 2F 6A AB 02 00 00 00 00 00 00 00 00 00 00
{377} normal block at 0x000002AB6A305880, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{376} normal block at 0x000002AB6A308C40, 16 bytes long.
Data: < ,/j > 90 2C 2F 6A AB 02 00 00 00 00 00 00 00 00 00 00
{374} normal block at 0x000002AB6A308BF0, 16 bytes long.
Data: <h,/j > 68 2C 2F 6A AB 02 00 00 00 00 00 00 00 00 00 00
{373} normal block at 0x000002AB6A309190, 16 bytes long.
Data: <@,/j > 40 2C 2F 6A AB 02 00 00 00 00 00 00 00 00 00 00
{372} normal block at 0x000002AB6A309820, 16 bytes long.
Data: < ,/j > 18 2C 2F 6A AB 02 00 00 00 00 00 00 00 00 00 00
{371} normal block at 0x000002AB6A309460, 16 bytes long.
Data: < +/j > F0 2B 2F 6A AB 02 00 00 00 00 00 00 00 00 00 00
{370} normal block at 0x000002AB6A308FB0, 16 bytes long.
Data: < +/j > C8 2B 2F 6A AB 02 00 00 00 00 00 00 00 00 00 00
{369} normal block at 0x000002AB6A304F80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{368} normal block at 0x000002AB6A3090F0, 16 bytes long.
Data: < +/j > A0 2B 2F 6A AB 02 00 00 00 00 00 00 00 00 00 00
{367} normal block at 0x000002AB6A2F2BA0, 320 bytes long.
Data: < 0j O0j > F0 90 30 6A AB 02 00 00 80 4F 30 6A AB 02 00 00
{366} normal block at 0x000002AB6A308BA0, 16 bytes long.
Data: <p 0j > 70 E1 30 6A AB 02 00 00 00 00 00 00 00 00 00 00
{365} normal block at 0x000002AB6A309780, 16 bytes long.
Data: <H 0j > 48 E1 30 6A AB 02 00 00 00 00 00 00 00 00 00 00
{364} normal block at 0x000002AB6A305820, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{363} normal block at 0x000002AB6A308DD0, 16 bytes long.
Data: < 0j > 20 E1 30 6A AB 02 00 00 00 00 00 00 00 00 00 00
{362} normal block at 0x000002AB6A305700, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{361} normal block at 0x000002AB6A309410, 16 bytes long.
Data: <h 0j > 68 E0 30 6A AB 02 00 00 00 00 00 00 00 00 00 00
{360} normal block at 0x000002AB6A308EC0, 16 bytes long.
Data: <@ 0j > 40 E0 30 6A AB 02 00 00 00 00 00 00 00 00 00 00
{359} normal block at 0x000002AB6A309370, 16 bytes long.
Data: < 0j > 18 E0 30 6A AB 02 00 00 00 00 00 00 00 00 00 00
{358} normal block at 0x000002AB6A308B50, 16 bytes long.
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{357} normal block at 0x000002AB6A308B00, 16 bytes long.
Data: < 0j > C8 DF 30 6A AB 02 00 00 00 00 00 00 00 00 00 00
{356} normal block at 0x000002AB6A308F10, 16 bytes long.
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{354} normal block at 0x000002AB6A308AB0, 16 bytes long.
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{353} normal block at 0x000002AB6A306E50, 40 bytes long.
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{352} normal block at 0x000002AB6A309A00, 16 bytes long.
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{351} normal block at 0x000002AB6A3099B0, 16 bytes long.
Data: <X 0j > 58 DF 30 6A AB 02 00 00 00 00 00 00 00 00 00 00
{350} normal block at 0x000002AB6A3055E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{349} normal block at 0x000002AB6A309320, 16 bytes long.
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{348} normal block at 0x000002AB6A30DF30, 992 bytes long.
Data: < 0j U0j > 20 93 30 6A AB 02 00 00 E0 55 30 6A AB 02 00 00
{184} normal block at 0x000002AB6A304E00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{183} normal block at 0x000002AB6A309050, 16 bytes long.
Data: <0v0j > 30 76 30 6A AB 02 00 00 00 00 00 00 00 00 00 00
{182} normal block at 0x000002AB6A307630, 40 bytes long.
Data: <P 0j N0j > 50 90 30 6A AB 02 00 00 00 4E 30 6A AB 02 00 00
{159} normal block at 0x000002AB6A308E70, 16 bytes long.
Data: < 6 > 80 EA 8F 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{158} normal block at 0x000002AB6A3093C0, 16 bytes long.
Data: <@ 6 > 40 E9 8F 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{157} normal block at 0x000002AB6A308C90, 16 bytes long.
Data: < W 6 > F8 57 8C 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{156} normal block at 0x000002AB6A3096E0, 16 bytes long.
Data: < W 6 > D8 57 8C 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{155} normal block at 0x000002AB6A2F8D20, 16 bytes long.
Data: <P 6 > 50 04 8C 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{154} normal block at 0x000002AB6A2F8CD0, 16 bytes long.
Data: <0 6 > 30 04 8C 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{153} normal block at 0x000002AB6A2F9B30, 16 bytes long.
Data: < 6 > E0 02 8C 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{152} normal block at 0x000002AB6A2F9A90, 16 bytes long.
Data: < 6 > 10 04 8C 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{151} normal block at 0x000002AB6A2F9A40, 16 bytes long.
Data: <p 6 > 70 04 8C 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{150} normal block at 0x000002AB6A2F99F0, 16 bytes long.
Data: < 6 > 18 C0 8A 36 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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